carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane

C132H196Cl4Zr2 — CID 162279313

IUPACcarbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane
SMILESCC(C)(C)C1=CC2C3C=C(C(C)(C)C)C=CC3C(C(C)(c3ccc(C(C)(C4CCCC4)C4C5C=CC(C(C)(C)C)=CC5C5C=C(C(C)(C)C)C=CC54)cc3)C3CCCC3)C2C=C1.CC(C)(C)C1=CC2C3C=C(C(C)(C)C)C=CC3C(C(c3ccc(C(C4CCCC4)C4C5C=CC(C(C)(C)C)=CC5C5C=C(C(C)(C)C)C=CC54)cc3)C3CCCC3)C2C=C1.CCC.CCC.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C62H86.C60H82.2C3H8.4CH3.4ClH.2Zr/c1-57(2,3)43-27-31-47-51(35-43)52-36-44(58(4,5)6)28-32-48(52)55(47)61(13,39-19-15-16-20-39)41-23-25-42(26-24-41)62(14,40-21-17-18-22-40)56-49-33-29-45(59(7,8)9)37-53(49)54-38-46(60(10,11)12)30-34-50(54)56;1-57(2,3)41-25-29-45-49(33-41)50-34-42(58(4,5)6)26-30-46(50)55(45)53(37-17-13-14-18-37)39-21-23-40(24-22-39)54(38-19-15-16-20-38)56-47-31-27-43(59(7,8)9)35-51(47)52-36-44(60(10,11)12)28-32-48(52)56;2*1-3-2;;;;;;;;;;/h23-40,47-56H,15-22H2,1-14H3;21-38,45-56H,13-20H2,1-12H3;2*3H2,1-2H3;4*1H3;4*1H;;/q;;;;4*-1;;;;;2*+4/p-4
InChIKeyDDVUZPHLWXDTFS-UHFFFAOYSA-J
MW2107.28 g/mol
LogP40.92
Rot. Bonds12

About carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane

carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane (PubChem CID 162279313) has the molecular formula C132H196Cl4Zr2 and a molecular weight of 2107.28 g/mol. Its IUPAC name is carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane.

Molecular Properties

Compound Namecarbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane
PubChem CID162279313
Molecular FormulaC132H196Cl4Zr2
Molecular Weight2107.28 g/mol
Exact Mass2101.22
IUPAC Namecarbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane
SMILESCC(C)(C)C1=CC2C3C=C(C(C)(C)C)C=CC3C(C(C)(c3ccc(C(C)(C4CCCC4)C4C5C=CC(C(C)(C)C)=CC5C5C=C(C(C)(C)C)C=CC54)cc3)C3CCCC3)C2C=C1.CC(C)(C)C1=CC2C3C=C(C(C)(C)C)C=CC3C(C(c3ccc(C(C4CCCC4)C4C5C=CC(C(C)(C)C)=CC5C5C=C(C(C)(C)C)C=CC54)cc3)C3CCCC3)C2C=C1.CCC.CCC.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C62H86.C60H82.2C3H8.4CH3.4ClH.2Zr/c1-57(2,3)43-27-31-47-51(35-43)52-36-44(58(4,5)6)28-32-48(52)55(47)61(13,39-19-15-16-20-39)41-23-25-42(26-24-41)62(14,40-21-17-18-22-40)56-49-33-29-45(59(7,8)9)37-53(49)54-38-46(60(10,11)12)30-34-50(54)56;1-57(2,3)41-25-29-45-49(33-41)50-34-42(58(4,5)6)26-30-46(50)55(45)53(37-17-13-14-18-37)39-21-23-40(24-22-39)54(38-19-15-16-20-38)56-47-31-27-43(59(7,8)9)35-51(47)52-36-44(60(10,11)12)28-32-48(52)56;2*1-3-2;;;;;;;;;;/h23-40,47-56H,15-22H2,1-14H3;21-38,45-56H,13-20H2,1-12H3;2*3H2,1-2H3;4*1H3;4*1H;;/q;;;;4*-1;;;;;2*+4/p-4
InChIKeyDDVUZPHLWXDTFS-UHFFFAOYSA-J
XLogP40.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002107.28
LogP ≤ 540.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane with MolForge

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Related Compounds

CID 102322257
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CID 134940194
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CID 134940273
CID 134940273
CID 135081321
CID 135081321
CID 135081327
CID 135081327
CID 135081329
CID 135081329
CID 135081331
CID 135081331
CID 135081333
CID 135081333
CID 135081470
CID 135081470
CID 135081593
CID 135081593
CID 157178387
CID 157178387

Frequently Asked Questions

What is the IUPAC name of carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane?
The IUPAC name of carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane (CID 162279313) is carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane.
What is the SMILES notation for carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane?
The canonical SMILES for carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane is CC(C)(C)C1=CC2C3C=C(C(C)(C)C)C=CC3C(C(C)(c3ccc(C(C)(C4CCCC4)C4C5C=CC(C(C)(C)C)=CC5C5C=C(C(C)(C)C)C=CC54)cc3)C3CCCC3)C2C=C1.CC(C)(C)C1=CC2C3C=C(C(C)(C)C)C=CC3C(C(c3ccc(C(C4CCCC4)C4C5C=CC(C(C)(C)C)=CC5C5C=C(C(C)(C)C)C=CC54)cc3)C3CCCC3)C2C=C1.CCC.CCC.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane?
The InChIKey is DDVUZPHLWXDTFS-UHFFFAOYSA-J. The full InChI is InChI=1S/C62H86.C60H82.2C3H8.4CH3.4ClH.2Zr/c1-57(2,3)43-27-31-47-51(35-43)52-36-44(58(4,5)6)28-32-48(52)55(47)61(13,39-19-15-16-20-39)41-23-25-42(26-24-41)62(14,40-21-17-18-22-40)56-49-33-29-45(59(7,8)9)37-53(49)54-38-46(60(10,11)12)30-34-50(54)56;1-57(2,3)41-25-29-45-49(33-41)50-34-42(58(4,5)6)26-30-46(50)55(45)53(37-17-13-14-18-37)39-21-23-40(24-22-39)54(38-19-15-16-20-38)56-47-31-27-43(59(7,8)9)35-51(47)52-36-44(60(10,11)12)28-32-48(52)56;2*1-3-2;;;;;;;;;;/h23-40,47-56H,15-22H2,1-14H3;21-38,45-56H,13-20H2,1-12H3;2*3H2,1-2H3;4*1H3;4*1H;;/q;;;;4*-1;;;;;2*+4/p-4.
What are the key properties of carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane?
carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane has a molecular weight of 2107.28 g/mol, XLogP of 40.92, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3,6-ditert-butyl-9-[1-cyclopentyl-1-[4-[1-cyclopentyl-1-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]phenyl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;3,6-ditert-butyl-9-[cyclopentyl-[4-[cyclopentyl-(3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl]phenyl]methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+));propane is sourced from PubChem (CID 162279313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).